SCHEMBL6886820

SCHEMBL6886820

CCOC(=O)c1c[nH]c(=O)nc1N[C@@H]1O[C@H](CO)C[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
JAK3 P52333 5/20 0.36
JAK1 P23458 4/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
FUCA1 P04066 2/20 0.34
GLB1 P16278 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NR2F2 P24468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PDE4B Q07343 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
S1PR2 O95136 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6880137 0.84 MAPK8 (0.33)
SCHEMBL6879994 0.82 GSK3B (0.31)
SCHEMBL6886849 0.82 GSK3B (0.43) MEN1KMT2AGAA
SCHEMBL7029787 0.80 LMNA (0.31) LMNA
SCHEMBL6887745 0.80 LMNA (0.31) LMNA
SCHEMBL6884998 0.79 GSK3B (0.34)
SCHEMBL6888686 0.79 TK1 (0.31)
SCHEMBL6885469 0.78 GSK3B (0.30)
SCHEMBL6887056 0.77 MAP3K7 (0.34) MEN1KMT2A
SCHEMBL6880956 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed